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Substance Name: Tetraacetylglucosamine mustard
RN: 56879-48-2
InChIKey: IBVNNVNKILNDQJ-NRXNZLANSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C18-H27-Cl2-N-O9

Molecular Weight

  • 472.315
 
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Names and Synonyms

Name of Substance

  • Tetraacetylglucosamine mustard

Synonyms

  • 1,3,4,6-Tetra-O-acetyl-2-(di-2-chloroethyl)amino-2-deoxy-D-glucopyranose
  • 2-Deoxy-2-(di-2-chloroethyl)amino-1,3,4,6-tetraacetoxy-D-glucopyranose
  • 4-18-00-07550 (Beilstein Handbook Reference)
  • BRN 0099172
  • NSC-344281
  • Tetraacetylglucosamine mustard

Systematic Name

  • Glucopyranose, 2-deoxy-2-(di-2-chloroethyl)amino-1,3,4,6-tetraacetoxy-, D-

Registry Numbers

CAS Registry Number

  • 56879-48-2

System Generated Number

  • 0056879482

Structure Descriptors

InChI

1S/C18H27Cl2NO9/c1-10(22)26-9-14-16(27-11(2)23)17(28-12(3)24)15(18(30-14)29-13(4)25)21(7-5-19)8-6-20/h14-18H,5-9H2,1-4H3/t14?,15-,16-,17?,18?/m1/s1

InChIKey

IBVNNVNKILNDQJ-NRXNZLANSA-N

Smiles

C(=O)(C)O[C@@H]1[C@@H]([C@@H](OC(=O)C)[C@@H]([C@@H](O1)COC(=O)C)OC(C)=O)N(CCCl)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3mg/kg (3mg/kg)   Cancer Research. Vol. 35, Pg. 1903, 1975.